0 mol 79 unq 0 iso 0 dist 8.04168 5.70907 9.61175 5.47798 4.78333 9.18411 numMergedOcc 0
1 mol 79 unq 1 iso 0 dist 8.04168 5.70907 9.61175 7.86805 4.74254 11.446 numMergedOcc 0
2 mol 79 unq 2 iso 0 dist 5.70907 8.04168 9.61175 5.48763 9.21761 12.5825 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 7.8435 5.99269 5.21654 12.5638 6.67678 10.4903 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 7.8435 5.99269 5.21654 12.4215 7.24956 11.5899 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 7.8435 5.99269 5.21654 5.99863 8.28591 5.35008 numMergedOcc 0
6 mol 93 unq 3 iso 0 dist 7.8435 5.99269 5.21654 6.15015 9.40687 8.84576 numMergedOcc 0
7 mol 93 unq 4 iso 0 dist 7.8435 5.71763 13.3531 12.5638 6.67678 17.0013 numMergedOcc 0
8 mol 93 unq 5 iso 0 dist 7.8435 5.71763 13.3531 12.4215 7.24956 16.7505 numMergedOcc 0
9 mol 93 unq 6 iso 0 dist 7.8435 5.71763 13.3531 5.99863 8.28591 8.30921 numMergedOcc 0
10 mol 93 unq 7 iso 0 dist 7.8435 5.71763 13.3531 6.15015 9.40687 7.39732 numMergedOcc 0
11 mol 93 unq 8 iso 0 dist 5.99269 7.8435 5.21654 5.99863 5.35008 8.28591 numMergedOcc 0
12 mol 93 unq 9 iso 0 dist 5.99269 7.8435 5.21654 6.15015 8.84576 9.40687 numMergedOcc 0
13 mol 93 unq 10 iso 0 dist 5.99269 5.71763 10.7398 5.99863 5.35008 8.30921 numMergedOcc 0
14 mol 93 unq 11 iso 0 dist 5.99269 5.71763 10.7398 6.15015 8.84576 7.39732 numMergedOcc 0
15 mol 93 unq 12 iso 0 dist 5.71763 7.8435 13.3531 5.99863 8.30921 8.28591 numMergedOcc 0
16 mol 93 unq 13 iso 0 dist 5.71763 7.8435 13.3531 6.15015 7.39732 9.40687 numMergedOcc 0
17 mol 93 unq 14 iso 0 dist 5.71763 7.8435 13.3531 10.9803 9.67744 14.4367 numMergedOcc 0
18 mol 93 unq 15 iso 0 dist 5.71763 5.99269 10.7398 5.99863 8.30921 5.35008 numMergedOcc 0
19 mol 93 unq 16 iso 0 dist 5.71763 5.99269 10.7398 6.15015 7.39732 8.84576 numMergedOcc 0
20 mol 93 unq 17 iso 0 dist 5.71763 5.99269 10.7398 10.9803 9.67744 13.704 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 4.99604 5.43933 6.86881 4.25001 5.92828 9.24706 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 4.99604 9.97483 10.8861 4.25001 5.92828 14.0864 numMergedOcc 0
23 mol 112 unq 2 iso 0 dist 4.99604 7.44041 10.5905 4.25001 5.92828 10.3476 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 9.6121 9.57341 12.7135 10.7475 4.55071 12.3503 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 8.48313 6.99345 6.05407 12.7348 4.94473 10.725 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 8.48313 5.11043 10.5379 12.7348 4.94473 15.1841 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 8.68663 7.16698 9.42812 5.42311 6.60366 11.0026 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 7.04815 6.07389 6.05141 6.50208 6.94594 9.89544 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 7.04815 6.07389 6.05141 6.3786 5.81881 9.84648 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 6.07389 7.04815 6.05141 8.54557 9.4366 14.2971 numMergedOcc 0
31 mol 194 unq 0 iso 0 dist 5.53324 6.72182 9.10229 7.82899 4.45769 12.9621 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 5.53324 6.72182 9.10229 10.0237 5.89939 13.7206 numMergedOcc 0
33 mol 222 unq 0 iso 0 dist 7.97027 6.81955 11.4035 9.06039 9.79673 15.4522 numMergedOcc 0
34 mol 222 unq 1 iso 0 dist 7.97027 6.81955 11.4035 3.98816 6.39673 10.0681 numMergedOcc 0
35 mol 222 unq 2 iso 0 dist 7.97027 4.9876 8.10209 9.06039 9.79673 12.7094 numMergedOcc 0
36 mol 222 unq 3 iso 0 dist 7.97027 4.9876 8.10209 3.98816 6.39673 7.80676 numMergedOcc 0
37 mol 222 unq 4 iso 0 dist 4.9876 7.97027 8.10209 3.98816 7.80676 6.39673 numMergedOcc 0
38 mol 222 unq 5 iso 0 dist 4.9876 6.81955 3.52491 3.98816 7.80676 10.0681 numMergedOcc 0
39 mol 225 unq 0 iso 0 dist 9.57955 8.79277 8.05944 8.38864 8.74463 13.862 numMergedOcc 0
40 mol 225 unq 1 iso 0 dist 9.87668 8.42121 8.05944 13.9338 8.74463 13.862 numMergedOcc 0
41 mol 225 unq 2 iso 0 dist 9.87668 7.8744 16.7885 13.9338 8.74463 21.4681 numMergedOcc 0
42 mol 225 unq 3 iso 0 dist 9.87668 4.98402 13.7858 13.9338 8.74463 15.4089 numMergedOcc 0
43 mol 260 unq 0 iso 0 dist 9.65775 9.50634 17.1683 4.05076 9.73217 7.49606 numMergedOcc 0
44 mol 260 unq 1 iso 0 dist 9.50634 9.65775 17.1683 4.05076 7.49606 9.73217 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 6.02757 8.67231 5.23295 8.89888 9.87744 12.9889 numMergedOcc 0
46 mol 278 unq 0 iso 0 dist 7.59696 8.63072 5.75667 5.78276 7.56691 11.7969 numMergedOcc 0
47 mol 279 unq 0 iso 0 dist 5.8304 7.37478 11.3734 7.93548 4.98693 14.0284 numMergedOcc 0
